SCHEMBL9475237

SCHEMBL9475237

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(=O)c1ccc2c(c1)C(c1ccccn1)=NC(C)(C)O2

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.33
HSD17B10 Q99714 5/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 3/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RAB9A P51151 3/20 0.31
NR1H2 P55055 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 2/20 0.30
CHEK2 O96017 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9476028 0.81 KDM4C (0.47) KDM4E
SCHEMBL27362326 0.81 SYK (0.41) SMN1; SMN2KDM4EALDH1A1HPGDRAB9A
SCHEMBL9475576 0.80 GRM5 (0.42) SMN1; SMN2KDM4EHTTALDH1A1MAPT
SCHEMBL9476629 0.80 CHEK2 (0.42) BACE1HSD17B10KDM4EHTTALDH1A1
SCHEMBL27344045 0.75 TP53 (0.33) BACE1KDM4EHTTTP53MAPT
SCHEMBL9476499 0.71 ADRA1A (0.47) BACE1HSD17B10SMN1; SMN2KDM4EHTT
SCHEMBL9476040 0.71 CBFB (0.40) BACE1HSD17B10SMN1; SMN2KDM4EHTT
SCHEMBL9475451 0.71 CBFB (0.40) SMN1; SMN2KDM4EALDH1A1MAPTHPGD
SCHEMBL9476263 0.71 KDM4E (0.34) BACE1HSD17B10SMN1; SMN2KDM4EHTT
SCHEMBL9475729 0.70 KDM4E (0.39) HSD17B10SMN1; SMN2KDM4EHTTTP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5270308-A Hypotensives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-14 US disclosed
EP-0477789-A1 1,3-Benzoxazine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-04-01 EP disclosed